Kalihinene
TL;DR: Kalihinene (CAS 126622-61-5) is a chemical compound with molecular formula C22H32N2O and molecular weight 340.25146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R)-2-[(1R,4R,4aS,8aR)-4-isocyano-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]-5-(2-isocyanopropan-2-yl)-2-methyloxolane
Also Known As: Kalihinene, (2S,5R)-2-[(1R,4R,4aS,8aR)-4-isocyano-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]-5-(2-isocyanopropan-2-yl)-2-methyloxolane, (2S,5R)-2-((1R,4R,4aS,8aR)-4-isocyano-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl)-5-(2-isocyanopropan-2-yl)-2-methyloxolane, (2S,5R)-2-[(1R,4R,4aS,8aR)-4-Isocyano-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-5-(2-isocyanopropan-2-yl)-2-methyloxolane, 2-(4-Isocyano-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)-5-(2-isocyanopropan-2-yl)-2-methyloxolane
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H32N2O |
| Molecular Weight | 340.25146 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 18.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.25146 Da |
| Heavy Atoms | 25 |
| Complexity | 675.0 |
| SMILES | CC1=C[C@@H]2[C@H](CC1)[C@](CC[C@H]2[C@@]3(CC[C@@H](O3)C(C)(C)[N+]#[C-])C)(C)[N+]#[C-] |
| InChIKey | WSPJFMZOFNQTAT-NBIPDHRESA-N |
Chemical Property Profile of Kalihinene
Property Insights of Kalihinene
The XLogP value of 3.3 indicates that Kalihinene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.0 Ų, Kalihinene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kalihinene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Kalihinene?
The CAS number of Kalihinene is 126622-61-5.
What is the molecular formula of Kalihinene?
The molecular formula of Kalihinene is C22H32N2O.
What is the molecular weight of Kalihinene?
The molecular weight of Kalihinene is 340.25146 g/mol.
Where can I buy Kalihinene?
You can request a quote for Kalihinene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Kalihinene?
Yes, CoreyChem provides custom synthesis services for Kalihinene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.